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  1. InChIKey:
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Name File
SDF P-502328743.sdf
SMILES P-502328743.smiles
Standard InChI P-502328743.inchi
InChIKey P-502328743.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-502328743 TimTec Building Block Collection 90 in stock
Property Value
Components 2
Mass 226.701
logP 3.18
H-bond acceptors 3
H-bond donors 2
Rotatable bonds 3
PSA 51.04
RO5 violations 0
RO3 violations 1
Refractivity 64.2361
Atoms 30
Rings 2
Heavy atoms 15
Hydrogen atoms 15
Heteroatoms 4
N/O atoms 3
Inorganic atoms 0
Halogen atoms 1
Chiral centers 0
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 0
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0